N-[[4-(anilinomethyl)thiophen-3-yl]methyl]aniline

C18H18N2S — CID 155543006

IUPACN-[[4-(anilinomethyl)thiophen-3-yl]methyl]aniline
SMILESc1ccc(NCc2cscc2CNc2ccccc2)cc1
InChIInChI=1S/C18H18N2S/c1-3-7-17(8-4-1)19-11-15-13-21-14-16(15)12-20-18-9-5-2-6-10-18/h1-10,13-14,19-20H,11-12H2
InChIKeyMLSUXISEDCQLSD-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.97
Rot. Bonds6

About N-[[4-(anilinomethyl)thiophen-3-yl]methyl]aniline

N-[[4-(anilinomethyl)thiophen-3-yl]methyl]aniline (PubChem CID 155543006) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[[4-(anilinomethyl)thiophen-3-yl]methyl]aniline.

Molecular Properties

Compound NameN-[[4-(anilinomethyl)thiophen-3-yl]methyl]aniline
PubChem CID155543006
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-[[4-(anilinomethyl)thiophen-3-yl]methyl]aniline
SMILESc1ccc(NCc2cscc2CNc2ccccc2)cc1
InChIInChI=1S/C18H18N2S/c1-3-7-17(8-4-1)19-11-15-13-21-14-16(15)12-20-18-9-5-2-6-10-18/h1-10,13-14,19-20H,11-12H2
InChIKeyMLSUXISEDCQLSD-UHFFFAOYSA-N
XLogP4.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(anilinomethyl)thiophen-3-yl]methyl]aniline?
The IUPAC name of N-[[4-(anilinomethyl)thiophen-3-yl]methyl]aniline (CID 155543006) is N-[[4-(anilinomethyl)thiophen-3-yl]methyl]aniline.
What is the SMILES notation for N-[[4-(anilinomethyl)thiophen-3-yl]methyl]aniline?
The canonical SMILES for N-[[4-(anilinomethyl)thiophen-3-yl]methyl]aniline is c1ccc(NCc2cscc2CNc2ccccc2)cc1.
What is the InChIKey of N-[[4-(anilinomethyl)thiophen-3-yl]methyl]aniline?
The InChIKey is MLSUXISEDCQLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-3-7-17(8-4-1)19-11-15-13-21-14-16(15)12-20-18-9-5-2-6-10-18/h1-10,13-14,19-20H,11-12H2.
What are the key properties of N-[[4-(anilinomethyl)thiophen-3-yl]methyl]aniline?
N-[[4-(anilinomethyl)thiophen-3-yl]methyl]aniline has a molecular weight of 294.42 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(anilinomethyl)thiophen-3-yl]methyl]aniline is sourced from PubChem (CID 155543006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).